Thanks to all who answered - and so fast!
- MET residues should become MSE (i.e. Se-MET instead of S-Met)
- ' SD ' atom name should become 'SE '
- remove the columns 77-80
I had changed S to SE and that's fine
Simply using an editor I changed the pdb file - and it works!!
Thanks again,
A
Dear Anita,
Selenomethionine should be named MSE. The residue
will show as HETATM, rather than ATOM, and MSE should be
used consistently (SEQRES, HELIX, etc.) for the appropriate
residues.
I do not know what various software packages do with
MSE but it occurs frequently so I would be
Hi,
- MET residues should become MSE (i.e. Se-MET instead of S-Met)
- ' SD ' atom name should become 'SE '
- remove the columns 77-80
- run PDBSET to let it re-generate columns 77-80 again.
So something simple minded like
% grep "^CRYST1" your.pdb > tmp.pdb
% egrep "^ATOM|^HETATM" y
Dear all,
This question may have been asked before, but I cannot find an answer
in the recent ccp4bb archives - sorry!
I am using an SeMet-protein data set as my native protein, since it
diffracted to high resolution and should give all the information I
need. I would therefore like to in
